SCHEMBL17023240

SCHEMBL17023240

O=S(=O)(O)c1cc(OS(=O)(=O)c2cc(O)c(S(=O)(=O)O)c(O)c2O)c(O)c(S(=O)(=O)O)c1O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17023239 0.81 PGAM1 (0.38) PGAM1
SCHEMBL16950300 0.80 PGAM1 (0.42) PGAM1
SCHEMBL16950423 0.75
SCHEMBL17023242 0.73
SCHEMBL7091094 0.73 HSD17B10 (0.40) PGAM1
SCHEMBL11772949 0.73 HSD17B10 (0.40) PGAM1
SCHEMBL29412224 0.73 HSD17B10 (0.40) PGAM1
SCHEMBL17005598 0.71 HSD17B10 (0.39) PGAM1
SCHEMBL17005600 0.71 HSD17B10 (0.39) PGAM1
SCHEMBL5207685 0.71 HSD17B10 (0.44) PGAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9966622-B2 Small organic molecule based flow battery PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-08 US disclosed
US-20150243991-A1 SMALL ORGANIC MOLECULE BASED FLOW BATTERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-27 US disclosed